| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4214319
Max Phase: Preclinical
Molecular Formula: C23H24O6
Molecular Weight: 396.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CC(C)(C)c1cc(O)c(O)c2c(=O)c3cc(CC=C(C)C)c(O)c(O)c3oc12
Standard InChI: InChI=1S/C23H24O6/c1-6-23(4,5)14-10-15(24)19(27)16-18(26)13-9-12(8-7-11(2)3)17(25)20(28)21(13)29-22(14)16/h6-7,9-10,24-25,27-28H,1,8H2,2-5H3
Standard InChI Key: ZJSCTRPDQUMQKM-UHFFFAOYSA-N
Associated Targets(non-human)
L6 7924 Activities
RAC-alpha serine/threonine-protein kinase 25 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 396.44 | Molecular Weight (Monoisotopic): 396.1573 | AlogP: 4.74 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.35 | CX Basic pKa: | CX LogP: 5.81 | CX LogD: 5.47 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.29 | Np Likeness Score: 2.29 |
References
| 1. Li Y, Zhao P, Chen Y, Fu Y, Shi K, Liu L, Liu H, Xiong M, Liu QH, Yang G, Xiao Y.. (2017) Depsidone and xanthones from Garcinia xanthochymus with hypoglycemic activity and the mechanism of promoting glucose uptake in L6 myotubes., 25 (24): [PMID:29128163] [10.1016/j.bmc.2017.10.043] |
Source
Source(1):